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MTLD, a Database of Multiple Target Ligands, the Updated Version
Polypharmacology plays an important role in drug discovery and polypharmacology drug strategies provide a novel path in drug design. However, to develop a polypharmacology drug with the desired profile remains a challenge. Previously, we developed a free web-accessible database called Multiple Targe...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151691/ https://www.ncbi.nlm.nih.gov/pubmed/28878188 http://dx.doi.org/10.3390/molecules22091375 |
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author | Chen, Chao Wu, Meng Cen, Shan Wu, Jianhui Zhou, Jinming |
author_facet | Chen, Chao Wu, Meng Cen, Shan Wu, Jianhui Zhou, Jinming |
author_sort | Chen, Chao |
collection | PubMed |
description | Polypharmacology plays an important role in drug discovery and polypharmacology drug strategies provide a novel path in drug design. However, to develop a polypharmacology drug with the desired profile remains a challenge. Previously, we developed a free web-accessible database called Multiple Target Ligand Database (MTLD, www.mtdcadd.com). Herein, the MTLD database has been updated, containing 2444 Multiple Target Ligands (MTLs) that bind with 21,424 binding sites from 18,231 crystal structures. Of the MTLs, 304 entries are approved drugs, and 1911 entries are drug-like compounds. Also, we added new functions such as multiple conditional search and linkage visualization. Through querying the updated database, extremely useful information for the development of polypharmacology drugs may be provided. |
format | Online Article Text |
id | pubmed-6151691 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-61516912018-11-13 MTLD, a Database of Multiple Target Ligands, the Updated Version Chen, Chao Wu, Meng Cen, Shan Wu, Jianhui Zhou, Jinming Molecules Communication Polypharmacology plays an important role in drug discovery and polypharmacology drug strategies provide a novel path in drug design. However, to develop a polypharmacology drug with the desired profile remains a challenge. Previously, we developed a free web-accessible database called Multiple Target Ligand Database (MTLD, www.mtdcadd.com). Herein, the MTLD database has been updated, containing 2444 Multiple Target Ligands (MTLs) that bind with 21,424 binding sites from 18,231 crystal structures. Of the MTLs, 304 entries are approved drugs, and 1911 entries are drug-like compounds. Also, we added new functions such as multiple conditional search and linkage visualization. Through querying the updated database, extremely useful information for the development of polypharmacology drugs may be provided. MDPI 2017-09-06 /pmc/articles/PMC6151691/ /pubmed/28878188 http://dx.doi.org/10.3390/molecules22091375 Text en © 2017 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Communication Chen, Chao Wu, Meng Cen, Shan Wu, Jianhui Zhou, Jinming MTLD, a Database of Multiple Target Ligands, the Updated Version |
title | MTLD, a Database of Multiple Target Ligands, the Updated Version |
title_full | MTLD, a Database of Multiple Target Ligands, the Updated Version |
title_fullStr | MTLD, a Database of Multiple Target Ligands, the Updated Version |
title_full_unstemmed | MTLD, a Database of Multiple Target Ligands, the Updated Version |
title_short | MTLD, a Database of Multiple Target Ligands, the Updated Version |
title_sort | mtld, a database of multiple target ligands, the updated version |
topic | Communication |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151691/ https://www.ncbi.nlm.nih.gov/pubmed/28878188 http://dx.doi.org/10.3390/molecules22091375 |
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